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Chemical ID: 6367980
Chemical ID:
6367980
Name [?]:
cyclopropyl-(4-ethylpiperazin-1-yl)-methanone
SMILES [?]:
CCN1CCN(CC1)C(=O)C2CC2
InChi [?]:
InChI=1/C10H18N2O/c1-2-11-5-7-12(8-6-11)10(13)9-3-4-9/h9H,2-8H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,12,13,4,8,5,7,11,9,3,6,10/E:(3,4)(5,6)(7,8)/rA:13nCCNCCNCCCOCCC/rB:s1;s2;s3;s4;s5;s6;s3s7;s6;d9;s9;s11;s11s12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H18N2O |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.03578 |
Area: | 361.678 |
Solvation: | -2.00617 |
Coulombic: | -20.2817 |
Bond Count [?]
All: | 14 |
Single: | 13 |
Double: | 1 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 182.263 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 0.12 |
LogP (Chemaxon): | 0.29 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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